1-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-ethyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-ethyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-[2-(azocan-1-yl)-2-oxo-ethyl]-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[2-(1-azocanyl)-2-oxoethyl]-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-[2-(azocan-1-yl)-2-keto-ethyl]-5-ethyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C29H37N5O3 MolecularWeight: 503.63578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)N3CCCCCCC3)NC(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)N3CCCCCCC3)NC(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C29H37N5O3/c1-4-24-23-15-11-13-21(3)26(23)34(19-25(35)33-16-8-6-5-7-9-17-33)28(36)27(31-24)32-29(37)30-22-14-10-12-20(2)18-22/h10-15,18,27H,4-9,16-17,19H2,1-3H3,(H2,30,32,37)