N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(1-naphthylmethyl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-4-(1-naphthalenylmethyl)-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(naphthalen-1-ylmethyl)piperazin-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(1-naphthylmethyl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C32H31N7O3 MolecularWeight: 561.63364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC3=CC=CC=C32)CC(=O)NCC4=CC5=C(C=C4)OCO5)C6=NC(=NC=C6)N7C=CN=C7

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC3=CC=CC=C32)CC(=O)NCC4=CC5=C(C=C4)OCO5)C6=NC(=NC=C6)N7C=CN=C7

InChI

InChI=1S/C32H31N7O3/c40-31(35-18-23-8-9-28-29(16-23)42-22-41-28)17-26-20-37(19-25-6-3-5-24-4-1-2-7-27(24)25)14-15-39(26)30-10-11-34-32(36-30)38-13-12-33-21-38/h1-13,16,21,26H,14-15,17-20,22H2,(H,35,40)