N-[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]-4-pyrrol-1-yl-benzamide Formula: C26H28N4O2 MolecularWeight: 428.52612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C26H28N4O2/c31-25(20-6-10-23(11-7-20)28-14-1-2-15-28)27-22-8-12-24(13-9-22)29-16-3-17-30(19-18-29)26(32)21-4-5-21/h1-2,6-15,21H,3-5,16-19H2,(H,27,31)