1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea

Systemtic Name: 1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-[4-[4-(dimethylamino)-1-piperidyl]phenyl]-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea CAS Name: 1-[4-[4-(dimethylamino)-1-piperidinyl]phenyl]-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-[4-[4-(dimethylamino)piperidino]phenyl]-3-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Formula: C30H34N6O2 MolecularWeight: 510.62996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N(C)C)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N(C)C)C5=CC=CC=C5

InChI

InChI=1S/C30H34N6O2/c1-34(2)23-17-19-36(20-18-23)24-15-13-22(14-16-24)31-30(38)33-28-29(37)35(3)26-12-8-7-11-25(26)27(32-28)21-9-5-4-6-10-21/h4-16,23,28H,17-20H2,1-3H3,(H2,31,33,38)