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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4)OC

InChI

InChI=1S/C29H45N5O2/c1-3-4-5-10-20-36-26-14-13-24(21-27(26)35-2)22-33-17-11-12-25(23-33)31-29-30-16-15-28(32-29)34-18-8-6-7-9-19-34/h13-16,21,25H,3-12,17-20,22-23H2,1-2H3,(H,30,31,32)