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

Systemtic Name: 1-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[3-(dimethylamino)propyl-methyl-amino]phenyl]urea Openeye Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[3-(dimethylamino)propyl-methyl-amino]phenyl]urea CAS Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[3-(dimethylamino)propyl-methylamino]phenyl]urea IUPAC Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[3-(dimethylamino)propyl-methylamino]phenyl]urea Traditional Name: 1-(5-cyclohexyl-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[3-(dimethylamino)propyl-methyl-amino]phenyl]urea Formula: C31H44N6O2 MolecularWeight: 532.72006

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N(C)CCCN(C)C)C4CCCCC4

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N(C)CCCN(C)C)C4CCCCC4

InChI

InChI=1S/C31H44N6O2/c1-5-20-37-27-15-10-9-14-26(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(4)22-11-21-35(2)3/h9-10,14-19,23,29H,5-8,11-13,20-22H2,1-4H3,(H2,32,34,39)