4-(azepan-4-yl)-N-[1-(phenylmethyl)piperidin-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

Systemtic Name: 4-(azepan-4-yl)-N-[1-(phenylmethyl)piperidin-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine Openeye Name: 4-(azepan-4-yl)-N-(1-benzyl-3-piperidyl)-5,6,7,8-tetrahydroquinazolin-2-amine CAS Name: 4-(4-azepanyl)-N-[1-(phenylmethyl)-3-piperidinyl]-5,6,7,8-tetrahydroquinazolin-2-amine IUPAC Name: 4-(azepan-4-yl)-N-(1-benzylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-2-amine Traditional Name: [4-(azepan-4-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]-(1-benzyl-3-piperidyl)amine Formula: C26H37N5 MolecularWeight: 419.60548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)NC3CCCN(C3)CC4=CC=CC=C4)C5CCCNCC5

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)NC3CCCN(C3)CC4=CC=CC=C4)C5CCCNCC5

InChI

InChI=1S/C26H37N5/c1-2-8-20(9-3-1)18-31-17-7-11-22(19-31)28-26-29-24-13-5-4-12-23(24)25(30-26)21-10-6-15-27-16-14-21/h1-3,8-9,21-22,27H,4-7,10-19H2,(H,28,29,30)