[4-(phenylmethyl)-1,4-diazepan-1-yl]-[6-(3-phenylpiperazin-1-yl)pyridin-3-yl]methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-[6-(3-phenylpiperazin-1-yl)pyridin-3-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[6-(3-phenylpiperazin-1-yl)-3-pyridyl]methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-[6-(3-phenyl-1-piperazinyl)-3-pyridinyl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[6-(3-phenylpiperazin-1-yl)pyridin-3-yl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[6-(3-phenylpiperazino)-3-pyridyl]methanone Formula: C28H33N5O MolecularWeight: 455.59452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H33N5O/c34-28(32-16-7-15-31(18-19-32)21-23-8-3-1-4-9-23)25-12-13-27(30-20-25)33-17-14-29-26(22-33)24-10-5-2-6-11-24/h1-6,8-13,20,26,29H,7,14-19,21-22H2