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

Systemtic Name: 1-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-9-methyl-2-oxidanylidene-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-[2-(azocan-1-yl)-2-oxo-ethyl]-5-isopropyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[2-(1-azocanyl)-2-oxoethyl]-9-methyl-2-oxo-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-[2-(azocan-1-yl)-2-oxoethyl]-9-methyl-2-oxo-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-[2-(azocan-1-yl)-2-keto-ethyl]-5-isopropyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C30H39N5O3 MolecularWeight: 517.66236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C(C)C)CC(=O)N4CCCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C(C)C)CC(=O)N4CCCCCCC4

InChI

InChI=1S/C30H39N5O3/c1-20(2)26-24-15-11-13-22(4)27(24)35(19-25(36)34-16-8-6-5-7-9-17-34)29(37)28(32-26)33-30(38)31-23-14-10-12-21(3)18-23/h10-15,18,20,28H,5-9,16-17,19H2,1-4H3,(H2,31,33,38)