4-[2-benzamido-4-(3-phenylpropylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-benzamido-4-(3-phenylpropylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-benzamido-4-(3-phenylpropylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[2-benzamido-4-[oxo-(3-phenylpropylamino)methyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-benzamido-4-(3-phenylpropylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-benzamido-4-(3-phenylpropylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Formula: C31H37N5O3 MolecularWeight: 527.65718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H37N5O3/c1-2-32-31(39)36-20-10-19-35(21-22-36)28-17-16-26(23-27(28)34-30(38)25-14-7-4-8-15-25)29(37)33-18-9-13-24-11-5-3-6-12-24/h3-8,11-12,14-17,23H,2,9-10,13,18-22H2,1H3,(H,32,39)(H,33,37)(H,34,38)