4-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-[4-(1-azepanyl)anilino]-2-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-[4-(azepan-1-yl)anilino]-2-keto-ethyl]-N-phenyl-piperazine-1-carboxamide Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O2/c31-24(26-22-10-12-23(13-11-22)29-14-6-1-2-7-15-29)20-28-16-18-30(19-17-28)25(32)27-21-8-4-3-5-9-21/h3-5,8-13H,1-2,6-7,14-20H2,(H,26,31)(H,27,32)