4-(azepan-1-yl)-N-[1-(1,3-benzodioxol-4-yl)piperidin-4-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-(1,3-benzodioxol-4-yl)piperidin-4-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-(1,3-benzodioxol-4-yl)-4-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(1,3-benzodioxol-4-yl)-4-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(1,3-benzodioxol-4-yl)piperidin-4-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(1,3-benzodioxol-4-yl)-4-piperidyl]amine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(CC3)C4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(CC3)C4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C22H29N5O2/c1-2-4-13-27(12-3-1)20-8-11-23-22(25-20)24-17-9-14-26(15-10-17)18-6-5-7-19-21(18)29-16-28-19/h5-8,11,17H,1-4,9-10,12-16H2,(H,23,24,25)