N-[1-(cyclopropylmethyl)-4-(3-oxidanylbut-3-enyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-7-yl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanamide

Systemtic Name: N-[1-(cyclopropylmethyl)-4-(3-oxidanylbut-3-enyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-7-yl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanamide Openeye Name: N-[1-(cyclopropylmethyl)-4-(3-hydroxybut-3-enyl)-2,5-dioxo-3H-1,4-benzodiazepin-7-yl]-2-[4-(o-tolylcarbamoylamino)phenyl]acetamide CAS Name: N-[1-(cyclopropylmethyl)-4-(3-hydroxybut-3-enyl)-2,5-dioxo-3H-1,4-benzodiazepin-7-yl]-2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]acetamide IUPAC Name: N-[1-(cyclopropylmethyl)-4-(3-hydroxybut-3-enyl)-2,5-dioxo-3H-1,4-benzodiazepin-7-yl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide Traditional Name: N-[1-(cyclopropylmethyl)-4-(3-hydroxybut-3-enyl)-2,5-diketo-3H-1,4-benzodiazepin-7-yl]-2-[4-(o-tolylcarbamoylamino)phenyl]acetamide Formula: C33H35N5O5 MolecularWeight: 581.6615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC4=C(C=C3)N(C(=O)CN(C4=O)CCC(=C)O)CC5CC5

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC4=C(C=C3)N(C(=O)CN(C4=O)CCC(=C)O)CC5CC5

InChI

InChI=1S/C33H35N5O5/c1-21-5-3-4-6-28(21)36-33(43)35-25-11-9-23(10-12-25)17-30(40)34-26-13-14-29-27(18-26)32(42)37(16-15-22(2)39)20-31(41)38(29)19-24-7-8-24/h3-6,9-14,18,24,39H,2,7-8,15-17,19-20H2,1H3,(H,34,40)(H2,35,36,43)