1-(4-phenylphenyl)carbonyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one

Systemtic Name: 1-(4-phenylphenyl)carbonyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Openeye Name: 1-(4-phenylbenzoyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one CAS Name: 1-[oxo-(4-phenylphenyl)methyl]-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-(4-phenylbenzoyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Traditional Name: 1-(4-phenylbenzoyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c28-23-12-15-27(19-18-26(23)17-16-25-13-4-5-14-25)24(29)22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-19H2/p+1