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

Systemtic Name: 1-[4-[3-(dimethylamino)propyl-methyl-amino]phenyl]-3-(2-oxidanylidene-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-[4-[3-(dimethylamino)propyl-methyl-amino]phenyl]-3-(1-isopropyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea CAS Name: 1-[4-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-[4-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-[4-[3-(dimethylamino)propyl-methyl-amino]phenyl]-3-(1-isopropyl-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Formula: C31H38N6O2 MolecularWeight: 526.67242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N(C)CCCN(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N(C)CCCN(C)C)C4=CC=CC=C4

InChI

InChI=1S/C31H38N6O2/c1-22(2)37-27-15-10-9-14-26(27)28(23-12-7-6-8-13-23)33-29(30(37)38)34-31(39)32-24-16-18-25(19-17-24)36(5)21-11-20-35(3)4/h6-10,12-19,22,29H,11,20-21H2,1-5H3,(H2,32,34,39)