4-(azepan-1-yl)-N-[1-[(4-hexoxy-3-methoxy-phenyl)methyl]piperidin-4-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-hexoxy-3-methoxy-phenyl)methyl]piperidin-4-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-hexoxy-3-methoxy-phenyl)methyl]-4-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-hexoxy-3-methoxyphenyl)methyl]-4-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-hexoxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-hexoxy-3-methoxy-benzyl)-4-piperidyl]amine Formula: C29H45N5O2 MolecularWeight: 495.6999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)CN2CCC(CC2)NC3=NC=CC(=N3)N4CCCCCC4)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CN2CCC(CC2)NC3=NC=CC(=N3)N4CCCCCC4)OC

InChI

InChI=1S/C29H45N5O2/c1-3-4-5-10-21-36-26-12-11-24(22-27(26)35-2)23-33-19-14-25(15-20-33)31-29-30-16-13-28(32-29)34-17-8-6-7-9-18-34/h11-13,16,22,25H,3-10,14-15,17-21,23H2,1-2H3,(H,30,31,32)