N-[2-[[4-(azepan-1-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-3,4-diethoxy-benzamide

Systemtic Name: N-[2-[[4-(azepan-1-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-3,4-diethoxy-benzamide Openeye Name: N-[2-[4-(azepan-1-ylmethyl)anilino]-2-oxo-ethyl]-3,4-diethoxy-benzamide CAS Name: N-[2-[4-(1-azepanylmethyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide IUPAC Name: N-[2-[4-(azepan-1-ylmethyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide Traditional Name: N-[2-[4-(azepan-1-ylmethyl)anilino]-2-keto-ethyl]-3,4-diethoxy-benzamide Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)CN3CCCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)CN3CCCCCC3)OCC

InChI

InChI=1S/C26H35N3O4/c1-3-32-23-14-11-21(17-24(23)33-4-2)26(31)27-18-25(30)28-22-12-9-20(10-13-22)19-29-15-7-5-6-8-16-29/h9-14,17H,3-8,15-16,18-19H2,1-2H3,(H,27,31)(H,28,30)