2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-(2-oxidanylideneazepan-3-yl)carbamate

Systemtic Name: 2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-(2-oxidanylideneazepan-3-yl)carbamate Openeye Name: 2-[4-(benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-(2-oxoazepan-3-yl)carbamate CAS Name: N-(2-oxo-3-azepanyl)carbamic acid 2-[4-(2-benzofuranylmethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-(2-oxoazepan-3-yl)carbamate Traditional Name: N-(2-ketoazepan-3-yl)carbamic acid 2-[4-(benzofuran-2-ylmethyl)piperazino]ethyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)OCCN2CCN(CC2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)OCCN2CCN(CC2)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H30N4O4/c27-21-19(6-3-4-8-23-21)24-22(28)29-14-13-25-9-11-26(12-10-25)16-18-15-17-5-1-2-7-20(17)30-18/h1-2,5,7,15,19H,3-4,6,8-14,16H2,(H,23,27)(H,24,28)