N-[2-(azepan-1-yl)phenyl]-4-(oxolan-2-ylcarbonyl)piperazine-1-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-4-(oxolan-2-ylcarbonyl)piperazine-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-4-[oxo(2-oxolanyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carboxamide Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)N3CCN(CC3)C(=O)C4CCCO4

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)N3CCN(CC3)C(=O)C4CCCO4

InChI

InChI=1S/C22H32N4O3/c27-21(20-10-7-17-29-20)25-13-15-26(16-14-25)22(28)23-18-8-3-4-9-19(18)24-11-5-1-2-6-12-24/h3-4,8-9,20H,1-2,5-7,10-17H2,(H,23,28)