1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-ethoxyphenyl)urea

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-ethoxyphenyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-ethoxyphenyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(4-ethoxyphenyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-ethoxyphenyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-p-phenetyl-urea Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NCC(C2=CC=CN2C)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NCC(C2=CC=CN2C)N3CCCCCC3

InChI

InChI=1S/C22H32N4O2/c1-3-28-19-12-10-18(11-13-19)24-22(27)23-17-21(20-9-8-14-25(20)2)26-15-6-4-5-7-16-26/h8-14,21H,3-7,15-17H2,1-2H3,(H2,23,24,27)