2-[4-[4-(phenylmethyl)-1,4-diazepan-1-yl]phenyl]-1H-indole-4-carboxamide

Systemtic Name: 2-[4-[4-(phenylmethyl)-1,4-diazepan-1-yl]phenyl]-1H-indole-4-carboxamide Openeye Name: 2-[4-(4-benzyl-1,4-diazepan-1-yl)phenyl]-1H-indole-4-carboxamide CAS Name: 2-[4-[4-(phenylmethyl)-1,4-diazepan-1-yl]phenyl]-1H-indole-4-carboxamide IUPAC Name: 2-[4-(4-benzyl-1,4-diazepan-1-yl)phenyl]-1H-indole-4-carboxamide Traditional Name: 2-[4-(4-benzyl-1,4-diazepan-1-yl)phenyl]-1H-indole-4-carboxamide Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=C(C=C2)C3=CC4=C(C=CC=C4N3)C(=O)N)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C2=CC=C(C=C2)C3=CC4=C(C=CC=C4N3)C(=O)N)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c28-27(32)23-8-4-9-25-24(23)18-26(29-25)21-10-12-22(13-11-21)31-15-5-14-30(16-17-31)19-20-6-2-1-3-7-20/h1-4,6-13,18,29H,5,14-17,19H2,(H2,28,32)