3-cyclohexyl-N-[2-(2-hydroxyethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: 3-cyclohexyl-N-[2-(2-hydroxyethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: 3-cyclohexyl-N-[2-(2-hydroxyethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 3-cyclohexyl-N-[2-(2-hydroxyethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 3-cyclohexyl-N-[2-(2-hydroxyethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: 3-cyclohexyl-N-[2-(2-hydroxyethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C26H32N4O2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC2C(=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)NCCO

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC2C(=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)NCCO

InChI

InChI=1S/C26H32N4O2/c31-18-17-27-25-26(29-23(32)16-15-19-9-3-1-4-10-19)30-24(20-11-5-2-6-12-20)21-13-7-8-14-22(21)28-25/h2,5-8,11-14,19,26,31H,1,3-4,9-10,15-18H2,(H,27,28)(H,29,32)