1-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[2-(1-azocanyl)-2-oxoethyl]-5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C30H37N5O3 MolecularWeight: 515.64648

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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)C4CC4)CC(=O)N5CCCCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C4CC4)CC(=O)N5CCCCCCC5

InChI

InChI=1S/C30H37N5O3/c1-20-10-8-12-23(18-20)31-30(38)33-28-29(37)35(19-25(36)34-16-6-4-3-5-7-17-34)27-21(2)11-9-13-24(27)26(32-28)22-14-15-22/h8-13,18,22,28H,3-7,14-17,19H2,1-2H3,(H2,31,33,38)