3-(5-cyclohexyl-2-oxidanylidene-1-prop-2-enyl-3H-1,4-benzodiazepin-3-yl)-1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-1-prop-2-enyl-urea

Systemtic Name: 3-(5-cyclohexyl-2-oxidanylidene-1-prop-2-enyl-3H-1,4-benzodiazepin-3-yl)-1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-1-prop-2-enyl-urea Openeye Name: 1-allyl-3-(1-allyl-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-1-[4-[4-(1-piperidyl)-1-piperidyl]phenyl]urea CAS Name: 3-(5-cyclohexyl-2-oxo-1-prop-2-enyl-3H-1,4-benzodiazepin-3-yl)-1-[4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]-1-prop-2-enylurea IUPAC Name: 3-(5-cyclohexyl-2-oxo-1-prop-2-enyl-3H-1,4-benzodiazepin-3-yl)-1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-1-prop-2-enylurea Traditional Name: 1-allyl-3-(1-allyl-5-cyclohexyl-2-keto-3H-1,4-benzodiazepin-3-yl)-1-[4-(4-piperidinopiperidino)phenyl]urea Formula: C38H50N6O2 MolecularWeight: 622.8426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)N(CC=C)C3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5)C6CCCCC6

Isomeric SMILES

C=CCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)N(CC=C)C3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5)C6CCCCC6

InChI

InChI=1S/C38H50N6O2/c1-3-23-43(32-19-17-30(18-20-32)42-27-21-31(22-28-42)41-25-11-6-12-26-41)38(46)40-36-37(45)44(24-4-2)34-16-10-9-15-33(34)35(39-36)29-13-7-5-8-14-29/h3-4,9-10,15-20,29,31,36H,1-2,5-8,11-14,21-28H2,(H,40,46)